SCHEMBL27323536

SCHEMBL27323536

C=CC=C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.59
HRH3 Q9Y5N1 1/20 0.51
MC4R P32245 1/20 0.50
DRD4 P21917 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
ACHE P22303 1/20 0.47
CCR3 P51677 2/20 0.46
CYP3A4 P08684 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11884735 0.94 SIGMAR1 (0.52) SIGMAR1HRH3MC4RDRD4LMNA
SCHEMBL28543867 0.84 SIGMAR1 (0.57) SIGMAR1HRH3MC4RDRD4LMNA
SCHEMBL4772258 0.80 SIGMAR1 (0.61) SIGMAR1HRH3MC4RDRD4LMNA
SCHEMBL2257602 0.79 SIGMAR1 (0.59) SIGMAR1HRH3MC4RDRD4LMNA
SCHEMBL6749797 0.78 SIGMAR1 (0.49) SIGMAR1HRH3MC4RDRD4LMNA
SCHEMBL2452523 0.77 SIGMAR1 (0.57) SIGMAR1HRH3MC4RDRD4LMNA
SCHEMBL8380136 0.77 SIGMAR1 (0.57) SIGMAR1HRH3MC4RDRD4LMNA
SCHEMBL2144916 0.77 SIGMAR1 (0.68) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL3505735 0.76 SIGMAR1 (0.55) SIGMAR1HRH3MC4RLMNACYP3A4
SCHEMBL7380692 0.76 SIGMAR1 (0.55) SIGMAR1HRH3MC4RDRD4LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1046278-C Azolylamine derivative KAKEN PHARMA CO LTD (JP) 1999-11-10 CN disclosed
CN-1122598-A Azolylamine derivative KAKEN PHARMA CO LTD (JP) 1996-05-15 CN disclosed